P   LATTICE,NONEQUIV.ATOMS   6   62 Pnma                                       
MODE OF CALC=RELA unit=bohr                                                    
 18.481522 30.840331 12.850138 90.000000 90.000000 90.000000                   
ATOM  -1: X=0.01650000 Y=0.14760000 Z=0.05510000
          MULT= 8          ISPLIT= 8
      -1: X=0.98350000 Y=0.85240000 Z=0.94490000
      -1: X=0.51650000 Y=0.14760000 Z=0.44490000
      -1: X=0.48350000 Y=0.85240000 Z=0.55510000
      -1: X=0.48350000 Y=0.64760000 Z=0.55510000
      -1: X=0.51650000 Y=0.35240000 Z=0.44490000
      -1: X=0.98350000 Y=0.64760000 Z=0.94490000
      -1: X=0.01650000 Y=0.35240000 Z=0.05510000
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -2: X=0.25010000 Y=0.25000000 Z=0.73520000
          MULT= 4          ISPLIT= 8
      -2: X=0.74990000 Y=0.75000000 Z=0.26480000
      -2: X=0.75010000 Y=0.25000000 Z=0.76480000
      -2: X=0.24990000 Y=0.75000000 Z=0.23520000
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -3: X=0.13090000 Y=0.25000000 Z=0.19240000
          MULT= 4          ISPLIT= 8
      -3: X=0.86910000 Y=0.75000000 Z=0.80760000
      -3: X=0.63090000 Y=0.25000000 Z=0.30760000
      -3: X=0.36910000 Y=0.75000000 Z=0.69240000
P          NPT=  781  R0=.000100000 RMT= 1.87        Z:  15.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000
ATOM  -4: X=0.14740000 Y=0.03920000 Z=0.22550000
          MULT= 8          ISPLIT= 8
      -4: X=0.85260000 Y=0.96080000 Z=0.77450000
      -4: X=0.64740000 Y=0.03920000 Z=0.27450000
      -4: X=0.35260000 Y=0.96080000 Z=0.72550000
      -4: X=0.35260000 Y=0.53920000 Z=0.72550000
      -4: X=0.64740000 Y=0.46080000 Z=0.27450000
      -4: X=0.85260000 Y=0.53920000 Z=0.77450000
      -4: X=0.14740000 Y=0.46080000 Z=0.22550000
I          NPT=  781  R0=.000010000 RMT= 2.50000     Z:  53.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -5: X=0.10800000 Y=0.14160000 Z=0.74510000
          MULT= 8          ISPLIT= 8
      -5: X=0.89200000 Y=0.85840000 Z=0.25490000
      -5: X=0.60800000 Y=0.14160000 Z=0.75490000
      -5: X=0.39200000 Y=0.85840000 Z=0.24510000
      -5: X=0.39200000 Y=0.64160000 Z=0.24510000
      -5: X=0.60800000 Y=0.35840000 Z=0.75490000
      -5: X=0.89200000 Y=0.64160000 Z=0.25490000
      -5: X=0.10800000 Y=0.35840000 Z=0.74510000
Se         NPT=  781  R0=.000050000 RMT= 2.28        Z:  34.00000              
LOCAL ROT MATRIX:    1.0000000 0.0000000 0.0000000
                     0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
ATOM  -6: X=0.33060000 Y=0.25000000 Z=0.04020000
          MULT= 4          ISPLIT= 8
      -6: X=0.66940000 Y=0.75000000 Z=0.95980000
      -6: X=0.83060000 Y=0.25000000 Z=0.45980000
      -6: X=0.16940000 Y=0.75000000 Z=0.54020000
Se         NPT=  781  R0=.000050000 RMT= 2.28        Z:  34.00000              
LOCAL ROT MATRIX:    0.0000000 1.0000000 0.0000000
                     0.0000000 0.0000000 1.0000000
                     1.0000000 0.0000000 0.0000000